cyclohexyl-methyl-[(2S)-3-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-2-oxidanyl-propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2S)-3-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-(4-methyl-2-oxo-chromen-7-yl)oxy-propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-(4-methyl-2-oxochromen-7-yl)oxypropyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-(2-keto-4-methyl-chromen-7-yl)oxy-propyl]-methyl-ammonium Formula: C20H28NO4+ MolecularWeight: 346.44062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(C[NH+](C)C3CCCCC3)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@H](C[NH+](C)C3CCCCC3)O

InChI

InChI=1S/C20H27NO4/c1-14-10-20(23)25-19-11-17(8-9-18(14)19)24-13-16(22)12-21(2)15-6-4-3-5-7-15/h8-11,15-16,22H,3-7,12-13H2,1-2H3/p+1/t16-/m0/s1